N-(4-(Chlorodifluoromethoxy)phenyl)-6-((2-hydroxyethyl)(methyl)amino)-5-(pyrimidin-5-yl)nicotinamide

HCID 89908444

Notes Reactions

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Basic information

Standard SMILES: CN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1cncnc1
InChIKey: OLSVTWHLZWGXCT-UHFFFAOYSA-N
Molecular formula: C20H18ClF2N5O3
Average molar mass: 449.8 g/mol
Monoisotopic mass: 449.1066235

Names & identifiers

Preferred name: N-(4-(Chlorodifluoromethoxy)phenyl)-6-((2-hydroxyethyl)(methyl)amino)-5-(pyrimidin-5-yl)nicotinamide
IUPAC: N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(methyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide

Names & synonyms

N-(4-(Chlorodifluoromethoxy)phenyl)-6-((2-hydroxyethyl)(methyl)amino)-5-(pyrimidin-5-yl)nicotinamideCHEMBL3925052SCHEMBL15393569BDBM213587US9278981, 179

Database identifiers

PubChem CID: 89908444
ChEMBL: CHEMBL3925052

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 100 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 577

Related reactions

1 records

New reaction record

HRID 924028As productuspto-grants-2016_03

Compound notes

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